N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide

C18H20N4O3 — CID 164632275

IUPACN-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESCOCC[C@H](NC(=O)c1cn[nH]c1-c1ccccn1)c1ccc(C)o1
InChIInChI=1S/C18H20N4O3/c1-12-6-7-16(25-12)14(8-10-24-2)21-18(23)13-11-20-22-17(13)15-5-3-4-9-19-15/h3-7,9,11,14H,8,10H2,1-2H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeySNEZGZKKGBFARP-AWEZNQCLSA-N
MW340.38 g/mol
LogP2.88
Rot. Bonds7

About N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide

N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 164632275) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
PubChem CID164632275
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESCOCC[C@H](NC(=O)c1cn[nH]c1-c1ccccn1)c1ccc(C)o1
InChIInChI=1S/C18H20N4O3/c1-12-6-7-16(25-12)14(8-10-24-2)21-18(23)13-11-20-22-17(13)15-5-3-4-9-19-15/h3-7,9,11,14H,8,10H2,1-2H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeySNEZGZKKGBFARP-AWEZNQCLSA-N
XLogP2.88
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide (CID 164632275) is N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide is COCC[C@H](NC(=O)c1cn[nH]c1-c1ccccn1)c1ccc(C)o1.
What is the InChIKey of N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is SNEZGZKKGBFARP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-6-7-16(25-12)14(8-10-24-2)21-18(23)13-11-20-22-17(13)15-5-3-4-9-19-15/h3-7,9,11,14H,8,10H2,1-2H3,(H,20,22)(H,21,23)/t14-/m0/s1.
What are the key properties of N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?
N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 164632275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).